High-pressure structural phase transitions in CuWO[subscript 4]

We study the effects of pressure on the structural, vibrational, and magnetic behavior of cuproscheelite. We performed powder x-ray diffraction and Raman spectroscopy experiments up to 27 GPa as well as ab initio total-energy and lattice-dynamics calculations. Experiments provide evidence that a structural phase transition takes place at 10 GPa from the low-pressure triclinic phase (P1{sup -}) to a monoclinic wolframite-type structure (P2/c). Calculations confirmed this finding and indicate that the phase transformation involves a change in the magnetic order. In addition, the equation of state for the triclinic phase is determined: V{sub 0} = 132.8(2) {angstrom}{sup 3}, B{sub 0} = 139(6) GPa, and B{prime}{sub 0} = 4. Furthermore, experiments under different stress conditions show that nonhydrostatic stresses induce a second phase transition at 17 GPa and reduce the compressibility of CuWO{sub 4}, B{sub 0} = 171(6) GPa. The pressure dependence of all Raman modes of the triclinic and high-pressure phases is also reported and discussed.

• Publication year

  2010

• Venue

  Physical Review B

• Publication date

  2010-05-03

• Fields of study

  Materials Science, Physics

• Identifiers
  DOI 10.1103/PhysRevB.81.224115arXiv 1005.0262
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar

• No claims are published for this paper.

• No concepts are published for this paper.

• No references are available for this paper.

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